(2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine

C12H16FNO — CID 35753994

IUPAC(2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine
SMILESFc1cccc(COC[C@@H]2CCCN2)c1
InChIInChI=1S/C12H16FNO/c13-11-4-1-3-10(7-11)8-15-9-12-5-2-6-14-12/h1,3-4,7,12,14H,2,5-6,8-9H2/t12-/m0/s1
InChIKeyKOZVQIGMQPYXST-LBPRGKRZSA-N
MW209.26 g/mol
LogP2.09
Rot. Bonds4

About (2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine

(2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine (PubChem CID 35753994) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine
PubChem CID35753994
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine
SMILESFc1cccc(COC[C@@H]2CCCN2)c1
InChIInChI=1S/C12H16FNO/c13-11-4-1-3-10(7-11)8-15-9-12-5-2-6-14-12/h1,3-4,7,12,14H,2,5-6,8-9H2/t12-/m0/s1
InChIKeyKOZVQIGMQPYXST-LBPRGKRZSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of (2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine (CID 35753994) is (2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine is Fc1cccc(COC[C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine?
The InChIKey is KOZVQIGMQPYXST-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-4-1-3-10(7-11)8-15-9-12-5-2-6-14-12/h1,3-4,7,12,14H,2,5-6,8-9H2/t12-/m0/s1.
What are the key properties of (2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine?
(2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluorophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 35753994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).